SCHEMBL4417595

SCHEMBL4417595

CCc1ccc(CN2CC3C(CNc4ccc(Br)c(F)c4)C3C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
NPY5R Q15761 3/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
FAAH O00519 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
ROCK2 O75116 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MLNR O43193 2/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4425265 0.81 KDM4E (0.42) MAPTRAB9AALDH1A1LMNAPOLB
SCHEMBL4412123 0.80 L3MBTL1 (0.41) S1PR1MAPTRAB9AALDH1A1LMNA
SCHEMBL4431183 0.79 SMN1; SMN2 (0.44) S1PR1S1PR5PTGDR2MAPTRAB9A
SCHEMBL4421593 0.77 ALDH1A1 (0.49) S1PR1S1PR5NPY5RMAPTRAB9A
SCHEMBL4431017 0.77 MAPT (0.45) MAPTFAAHALDH1A1LMNAGAA
SCHEMBL4431009 0.77
SCHEMBL4413752 0.76 ALDH1A1 (0.44) S1PR1S1PR5NPY5RMAPTRAB9A
SCHEMBL4430245 0.76 ALDH1A1 (0.46) S1PR1S1PR5NPY5RMAPTRAB9A
SCHEMBL2204766 0.75 MAPT (0.43) MAPTRAB9AFAAHALDH1A1LMNA
SCHEMBL4419284 0.74 NPC1 (0.43) MAPTRAB9AALDH1A1LMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP disclosed
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP disclosed
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US disclosed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 S1PR1 1598/4885S1PR5 1488/4885NPY5R 311/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.